#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
APH      APH 'P-AMIDINOPHENYL-3-ALANINE           ' non-polymer        28  15 M
#
data_comp_APH
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
 APH           N      N    .         0.000
 APH           CA     C    .         0.000
 APH           C      C    .         0.000
 APH           O      O    .         0.000
 APH           CB     C    .         0.000
 APH           CG     C    .         0.000
 APH           CD1    C    .         0.000
 APH           CD2    C    .         0.000
 APH           CE1    C    .         0.000
 APH           CE2    C    .         0.000
 APH           CZ     C    .         0.000
 APH           CF     C    .         0.000
 APH           NG1    N    .         0.000
 APH           NG2    N    .         0.000
 APH           OXT    O    .         0.000
 APH           HN1    H    .         0.000
 APH           HN2    H    .         0.000
 APH           HA     H    .         0.000
 APH           HB1    H    .         0.000
 APH           HB2    H    .         0.000
 APH           HD1    H    .         0.000
 APH           HD2    H    .         0.000
 APH           HE1    H    .         0.000
 APH           HE2    H    .         0.000
 APH           HG1    H    .         0.000
 APH           HG21   H    .         0.000
 APH           HG22   H    .         0.000
 APH           HXT    H    .         0.000
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
 APH        N      CA        single
 APH        N      HN1       single
 APH        N      HN2       single
 APH        CA     C         single
 APH        CA     CB        single
 APH        CA     HA        single
 APH        C      O         double
 APH        C      OXT       single
 APH        CB     CG        single
 APH        CB     HB1       single
 APH        CB     HB2       single
 APH        CG     CD1       double
 APH        CG     CD2       single
 APH        CD1    CE1       single
 APH        CD1    HD1       single
 APH        CD2    CE2       double
 APH        CD2    HD2       single
 APH        CE1    CZ        double
 APH        CE1    HE1       single
 APH        CE2    CZ        single
 APH        CE2    HE2       single
 APH        CZ     CF        single
 APH        CF     NG1       double
 APH        CF     NG2       single
 APH        NG1    HG1       single
 APH        NG2    HG21      single
 APH        NG2    HG22      single
 APH        OXT    HXT       single